4630-82-4

环己甲酸甲酯(4630-82-4)质谱(MS)

产品名称:环己甲酸甲酯

CAS:4630-82-4

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey: ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Smiles:C1(C(OC)=O)CCCCC1

Mass

MS-NW-1050          
methyl cyclohexanecarboxylate
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0      11.8
      18.0       2.5
      26.0       1.6
      27.0      17.1
      28.0       4.1
      29.0      11.4
      31.0       1.2
      38.0       1.2
      39.0      20.7
      40.0       3.2
      41.0      50.2
      42.0       5.2
      43.0       4.8
      45.0       1.5
      50.0       1.6
      51.0       2.9
      52.0       1.5
      53.0       9.0
      54.0      11.1
      55.0     100.0
      56.0       6.3
      57.0       1.4
      59.0       8.9
      61.0       1.5
      65.0       1.4
      66.0       1.5
      67.0      20.2
      68.0      20.6
      69.0      12.5
      70.0       1.0
      71.0       1.6
      74.0      40.4
      75.0       5.8
      77.0       2.5
      79.0       3.7
      81.0      14.2
      82.0      25.8
      83.0      87.1
      84.0       5.7
      85.0       1.2
      87.0      91.6
      88.0       5.7
      99.0       1.1
     100.0       7.1
     101.0      13.3
     105.0       1.0
     109.0       1.6
     110.0      26.5
     111.0      19.3
     112.0       1.5
     113.0      20.6
     114.0       3.8
     127.0       6.3
     141.0       3.6
     142.0      37.4
     143.0       3.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
methyl cyclohexanecarboxylate

    Assign.     Shift(ppm)

      A             3.659
      B             2.301
      C             1.90
      D             1.75
      E             1.64
      F             1.444
      G             1.27
      J             1.24

     Hz     ppm     Int.

   1462.52   3.660   1000
    935.06   2.340     26
    931.40   2.331     51
    927.73   2.322     29
    923.83   2.312     52
    920.17   2.303    102
    916.50   2.294     56
    912.48   2.284     29
    908.81   2.275     55
    905.15   2.265     30
    764.16   1.913     78
    750.61   1.879     86
    705.44   1.766     64
    692.14   1.732     89
    659.30   1.650     44

in CDCl3